N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-2-amine

C11H21N5 — CID 62737239

IUPACN-[(1-cyclohexyltetrazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1C1CCCCC1
InChIInChI=1S/C11H21N5/c1-9(2)12-8-11-13-14-15-16(11)10-6-4-3-5-7-10/h9-10,12H,3-8H2,1-2H3
InChIKeyIZGGCUFORKKVQO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.68
Rot. Bonds4

About N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-2-amine

N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-2-amine (PubChem CID 62737239) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclohexyltetrazol-5-yl)methyl]propan-2-amine
PubChem CID62737239
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN-[(1-cyclohexyltetrazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1C1CCCCC1
InChIInChI=1S/C11H21N5/c1-9(2)12-8-11-13-14-15-16(11)10-6-4-3-5-7-10/h9-10,12H,3-8H2,1-2H3
InChIKeyIZGGCUFORKKVQO-UHFFFAOYSA-N
XLogP1.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-2-amine (CID 62737239) is N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-2-amine is CC(C)NCc1nnnn1C1CCCCC1.
What is the InChIKey of N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-2-amine?
The InChIKey is IZGGCUFORKKVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-9(2)12-8-11-13-14-15-16(11)10-6-4-3-5-7-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-2-amine?
N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 62737239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).